Physicochemical Descriptor Prediction on PubChem 5k (test) benchmark leaderboard · SOTA2 Research

Physicochemical Descriptor Prediction on PubChem 5k (test)

0.996MW Pearson CorrelationMolSight

Evaluation Results

Method	Links
MolSight2026.07		0.996	1.78	0.97	0.3	0.999	0.96	0.996	0.01	0.99	0.09	0.99	0.25	0.94	0.05	0.984	0.49
Chemprop2026.07		0.99	1.63	0.98	0.16	0.99	0.91	0.99	0.03	0.99	0.03	0.99	0.05	0.89	0.07	0.974	0.41
ChemMLLM-34B2026.07		0.98	11.57	0.93	0.53	0.98	3.54	0.96	0.11	0.96	0.53	0.97	0.75	0.93	0.05	0.959	2.43
ChemMLLM-7B2026.07		0.97	16.17	0.92	0.7	0.97	6.06	0.96	0.13	0.94	0.79	0.94	1.62	0.91	0.06	0.944	3.64
Chemception2026.07		0.87	44.75	0.62	1.23	0.84	14.45	0.81	0.58	0.84	0.29	0.73	7.57	-0.004	0.4	0.673	9.9
ChemVLM-8B2026.07		0.84	56.94	0.38	1.68	0.26	53.66	0.49	1.35	0.32	27.27	0.1	45.88	-0.003	0.24	0.341	26.72
Qwen-VL-7B2026.07		0.78	58.07	0.14	1.48	0.19	82.83	-0.02	1.42	0.05	30.56	0.19	145.4	0	—	0.19	—
InternVL-20B2026.07		0.59	83.6	0.04	2.37	0.29	28.73	0.03	2.24	0.04	10.24	0.04	43.67	0.003	4.01	0.147	24.98
LLaVA-7B2026.07		0.36	115.7	-0.003	1.61	0.01	99.14	0.004	3.74	0.04	23.71	0.04	39.99	-0.11	24.53	0.049	44.06